2-(pyridin-2-yldisulfanyl)propyl carbamate

C9H12N2O2S2 — CID 141443220

IUPAC2-(pyridin-2-yldisulfanyl)propyl carbamate
SMILESCC(COC(N)=O)SSc1ccccn1
InChIInChI=1S/C9H12N2O2S2/c1-7(6-13-9(10)12)14-15-8-4-2-3-5-11-8/h2-5,7H,6H2,1H3,(H2,10,12)
InChIKeyCFHROGMIRQSHPF-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.31
Rot. Bonds5

About 2-(pyridin-2-yldisulfanyl)propyl carbamate

2-(pyridin-2-yldisulfanyl)propyl carbamate (PubChem CID 141443220) has the molecular formula C9H12N2O2S2 and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-(pyridin-2-yldisulfanyl)propyl carbamate.

Molecular Properties

Compound Name2-(pyridin-2-yldisulfanyl)propyl carbamate
PubChem CID141443220
Molecular FormulaC9H12N2O2S2
Molecular Weight244.34 g/mol
Exact Mass244.03
IUPAC Name2-(pyridin-2-yldisulfanyl)propyl carbamate
SMILESCC(COC(N)=O)SSc1ccccn1
InChIInChI=1S/C9H12N2O2S2/c1-7(6-13-9(10)12)14-15-8-4-2-3-5-11-8/h2-5,7H,6H2,1H3,(H2,10,12)
InChIKeyCFHROGMIRQSHPF-UHFFFAOYSA-N
XLogP2.31
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}

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Related Compounds

[4-(pyridin-2-yldisulfanyl)phenyl]methyl carbamate
CID 163216336
(pyridin-2-yldisulfanyl)oxymethyl 2-methylpropanoate
CID 170424233
2-(pyridin-2-yldisulfanyl)pentanoic acid
CID 87433027
1-(pyridin-2-yldisulfanyl)butyl carbonochloridate
CID 87479976
[4-oxo-1,4-bis[4-(pyridin-2-yldisulfanyl)pentanoyloxy]butylidene]sulfamic acid
CID 173062938
(2S)-1-(pyridin-2-yldisulfanyl)propan-2-ol
CID 155484839
4-pyridin-2-ylsulfanylpentan-2-one
CID 64727463
4-imino-1-oxo-1,4-bis[4-(pyridin-2-yldisulfanyl)pentanoyloxy]butane-2-sulfonic acid
CID 18434011
2-methyl-2-(propan-2-ylamino)-4-pyridin-2-ylsulfanylpentanamide
CID 64709128
1-propan-2-yl-3-[2-(pyridin-2-yldisulfanyl)propyl]pyrrole-2,5-dione
CID 130337086
1-(pyridin-2-yldisulfanyl)propan-2-one
CID 88565959
(3-hydroxy-2-pyridin-2-ylpropyl) carbamate
CID 10420201

Frequently Asked Questions

What is the IUPAC name of 2-(pyridin-2-yldisulfanyl)propyl carbamate?
The IUPAC name of 2-(pyridin-2-yldisulfanyl)propyl carbamate (CID 141443220) is 2-(pyridin-2-yldisulfanyl)propyl carbamate.
What is the SMILES notation for 2-(pyridin-2-yldisulfanyl)propyl carbamate?
The canonical SMILES for 2-(pyridin-2-yldisulfanyl)propyl carbamate is CC(COC(N)=O)SSc1ccccn1.
What is the InChIKey of 2-(pyridin-2-yldisulfanyl)propyl carbamate?
The InChIKey is CFHROGMIRQSHPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2S2/c1-7(6-13-9(10)12)14-15-8-4-2-3-5-11-8/h2-5,7H,6H2,1H3,(H2,10,12).
What are the key properties of 2-(pyridin-2-yldisulfanyl)propyl carbamate?
2-(pyridin-2-yldisulfanyl)propyl carbamate has a molecular weight of 244.34 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridin-2-yldisulfanyl)propyl carbamate is sourced from PubChem (CID 141443220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).